1-(2,6-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine

C17H19F2NO — CID 104660446

IUPAC1-(2,6-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(NC)c1c(F)cccc1F
InChIInChI=1S/C17H19F2NO/c1-3-11-21-15-10-5-4-7-12(15)17(20-2)16-13(18)8-6-9-14(16)19/h4-10,17,20H,3,11H2,1-2H3
InChIKeyXMSGEGJSVGAUIY-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.06
Rot. Bonds6

About 1-(2,6-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine

1-(2,6-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine (PubChem CID 104660446) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
PubChem CID104660446
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-(2,6-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(NC)c1c(F)cccc1F
InChIInChI=1S/C17H19F2NO/c1-3-11-21-15-10-5-4-7-12(15)17(20-2)16-13(18)8-6-9-14(16)19/h4-10,17,20H,3,11H2,1-2H3
InChIKeyXMSGEGJSVGAUIY-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dichlorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 105035881
1-(2,4-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 104660094
1-(2,6-difluoro-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 82803167
N-methyl-1-(2-propoxyphenyl)-1-pyridin-2-ylmethanamine
CID 104659848
(2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104658590
N-methyl-1-(2-propoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105180782
1-(2,5-dimethylphenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 105035882
2-(2,6-difluorophenyl)-1-(2-propoxyphenyl)ethanol
CID 115833036
1-(6-methoxypyridazin-3-yl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 103374186
N-methyl-1-(5-methylfuran-3-yl)-1-(2-propoxyphenyl)methanamine
CID 105035753
1-(2,4-dibromophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 107946713
1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 104660704

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine (CID 104660446) is 1-(2,6-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine is CCCOc1ccccc1C(NC)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine?
The InChIKey is XMSGEGJSVGAUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-3-11-21-15-10-5-4-7-12(15)17(20-2)16-13(18)8-6-9-14(16)19/h4-10,17,20H,3,11H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine?
1-(2,6-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine has a molecular weight of 291.34 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine is sourced from PubChem (CID 104660446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).